Simulation study of spin polarized positron annihilation

• Project/Area Number: 17K05118
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Quantum beam science
• Research Institution: Kanazawa University
• Principal Investigator: Saito Mineo 金沢大学, 数物科学系, 教授 (60377398)
• Project Period (FY): 2017-04-01 – 2022-03-31
• Project Status: Completed (Fiscal Year 2021)
• Budget Amount: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000); Fiscal Year 2019: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2018: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2017: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
• Keywords: スピン偏極陽電子消滅 / 運動量密度 / 密度汎関数理論 / スピン軌道相互作用 / 強磁性金属 / 第一原理計算 / ワイドギャップ半導体 / 原子空孔 / 強磁性 / 反強磁性 / 半導体 / スピン偏極陽電子 / 電子スピン分極 / Jahn－Teller効果 / 陽電子消滅 / 酸化亜鉛 / スピン分極 / 陽電子 / 計算物理 / スピントロニクス

Outline of Final Research Achievements

Spin-polarized positron annihilation method was used to study cation vacancies in II-VI and III-V wide-gap semiconductors. We clarified irreducible representations of defect levels and revealed that the relation between the symmetry of the defects and electronic spin polarization. We also suggested that the difference between the momentum densities of majority and minority spins in ferromagnetic metals originates from the electron many-body effect. Furthermore, we clarified that the spin-orbit interaction affects momentum densities.

Academic Significance and Societal Importance of the Research Achievements

物質のスピン分極を観測することのできる新しい研究手法であるスピン偏極陽電子消滅実験手法の可能性を、第一原理計算の実行により明らかにした。ワイドギャップ半導体中陽イオン空孔のスピン分極のメカニズムを明らかにした。また、強磁性金属における多数スピンおよび少数スピンに対する運動量密度を観測することで、電子の多体効果について有益な情報を得ることができることを示した。

Research Products

• [Journal Article] Analysis of band structures of phosphorene and bismuthene based on the double group theory (2022)
  • Author(s): Widianto Muhammad Yusuf Hakim、Saito Mineo
  • Journal Title: Japanese Journal of Applied Physics Volume: 61 Issue: 3 Pages: 035503-035503
  • DOI: 10.35848/1347-4065/ac4c4e
• [Journal Article] Electronic band structures of group-IV two-dimensional materials: Spin-orbit coupling and group theoretical analysis (2021)
  • Author(s): Putri Salsabila Amanda、Yamaguchi Yuki、Ariasoca Thomas Aquino、Widianto Muhammad Yusuf Hakim、Tagami Katsunori、Saito Mineo
  • Journal Title: Surface Science Volume: 714 Pages: 121917-121917
  • DOI: 10.1016/j.susc.2021.121917
  • NAID: 120007191059
• [Journal Article] Electronic structures of puckered bilayer group-V two-dimensional materials: group theoretical analysis (2021)
  • Author(s): Widianto Muhammad Yusuf Hakim、Zaharo Aflah、Namari Nuning Anugrah Putri、Saito Mineo
  • Journal Title: Japanese Journal of Applied Physics Volume: 60 Issue: 6 Pages: 061001-061001
  • DOI: 10.35848/1347-4065/ac0004
  • NAID: 120007191062
• [Journal Article] Electronic structure of puckered group IV-VI two-dimensional monolayer materials (2020)
  • Author(s): Zaharo Aflah、Purqon Acep、Winata Toto、Saito Mineo
  • Journal Title: Japanese Journal of Applied Physics Volume: 59 Issue: 7 Pages: 071006-071006
  • DOI: 10.35848/1347-4065/ab984c
  • NAID: 120007191061
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Spin-polarized cation monovacancies in wurtzite structure semiconductors: first-principles study (2020)
  • Author(s): Widianto Muhammad Yusuf Hakim、Kadarisman Hana Pratiwi、Yatmeidhy Amran Mahfudh、Saito Mineo
  • Journal Title: Japanese Journal of Applied Physics Volume: 59 Issue: 7 Pages: 071001-071001
  • DOI: 10.35848/1347-4065/ab9654
  • NAID: 120007192578
  • Peer Reviewed / Open Access
• [Journal Article] Electronic band structures of group-V two-dimensional materials (2019)
  • Author(s): Namari Nuning Anugrah Putri and Mineo Saito
  • Journal Title: Japanese Journal of Applied Physics Volume: 58 Issue: 6 Pages: 061003-061003
  • DOI: 10.7567/1347-4065/ab19a1
  • NAID: 120007191063
  • Peer Reviewed / Open Access
• [Journal Article] First-principles calculation of anomalous muonium in silicon: origin of the negative Fermi contact interaction constant (2019)
  • Author(s): Muhamad Nasruddin Manaf, Susumu Minami, Fumiyuki Ishii and Mineo Saito
  • Journal Title: Japanese Journal of Applied Physics Volume: 58 Issue: 8 Pages: 081008-081008
  • DOI: 10.7567/1347-4065/ab2f9a
  • NAID: 120007192577
  • Peer Reviewed
• [Journal Article] Anisotropic thermoelectric effect on phosphorene and bismuthene: first-principles calculations based on nonequilibrium Green’s function theory (2018)
  • Author(s): Tanaka Yuto、Saito Mineo、Ishii Fumiyuki
  • Journal Title: Japanese Journal of Applied Physics Volume: 57 Issue: 12 Pages: 125201-125201
  • DOI: 10.7567/jjap.57.125201
  • NAID: 120007191060
  • Peer Reviewed
• [Presentation] Analysis of Band Structures of Group-IV 2D Materials Based on the Double Group Theory (2021)
  • Author(s): M. Y. H. Widianto, S. A. Putri, Y. Yamaguchi, T. A. Ariasoca, K. Tagami, M. Saito
  • Organizer: 13th International Symposium on Atomic Level Characterizations for New Materials and Devices
  • Int'l Joint Research
• [Presentation] Electronic Band Structures of Puckered Group-V Two-Dimensional Materials: Group Theoretical Analysis (2021)
  • Author(s): Muhammad Y.H. Widianto, Aflah Zaharo, Nuning A. P. NamariA and Mineo Saito
  • Organizer: 日本物理学会第76回年次大会
• [Presentation] Ⅳ族2次元物質のバンド構造：2重群に基づく解析 (2021)
  • Author(s): 山口悠樹, Thomas Ariasoca, Salsabila Amanda Putri, 斎藤峯雄, 田上勝規
  • Organizer: 日本物理学会第76回年次大会
• [Presentation] First-Principles Study of Spin-Polarized Cation Vacancies in II-VI and III-V Semiconductors (2020)
  • Author(s): Muhammad Widianto, Hana Kadarisman, Amran Yatmeidhy, Mineo Saito
  • Organizer: 日本物理学会2020年秋季大会
• [Presentation] Group-theoretical Analysis of Puckered Group IV-VI Two-dimensional Monolayer Materials (2020)
  • Author(s): Aflah Zaharo, Mineo Saito
  • Organizer: 日本物理学会2020年秋季大会
• [Presentation] Electronic structures of phosphorene-like group IV-VI two-dimensional materials (2019)
  • Author(s): Aflah Zaharo and Mineo Saito
  • Organizer: 日本物理学会2019年秋季大会プログラム
• [Presentation] Systematic study of spin-polarized cation monovacancies in wide-gap semiconductors (2019)
  • Author(s): Muhammad Widianto, Hana Kadarisman, Amran Yatmeidhy, and Mineo Saito
  • Organizer: 日本物理学会2019年秋季大会プログラム
• [Presentation] Origin of the negative Fermi contact interaction constant of the anomalous muonium in silicon (2019)
  • Author(s): Muhamad Nasruddin Manaf, Susumu Minami, Fumiyuki Ishii and Mineo Saito
  • Organizer: 日本物理学会2019年秋季大会プログラム
• [Presentation] Electron Correlation in the Anomalous Muonium in Silicon (2019)
  • Author(s): Muhamad Nasruddin Manaf and Mineo Saito
  • Organizer: International Conference on Frontiers of Correlated Electron Sciences
  • Int'l Joint Research
• [Presentation] Spin-Polarized Cation Vacancies in Compound Semiconductors: First-principles Study (2019)
  • Author(s): Muhammad Y. H. Widianto, Hana P. Kadarisman, Amran M. Yatmeidhy and Mineo Saito
  • Organizer: The 22nd Asian Workshop on First-Principles electronic structure calculations
  • Int'l Joint Research
• [Presentation] Band Structure of Group IV-VI 2D Materials (2019)
  • Author(s): A. Zaharo and M. Saito
  • Organizer: The 22nd Asian Workshop on First-Principles electronic structure calculations
  • Int'l Joint Research
• [Presentation] 2次元物質のバンド構造： 群論に基づく解析 (2019)
  • Author(s): 斎藤峯雄
  • Organizer: NIMS ナノシミュレーション ワークショップ 2019
  • Invited
• [Presentation] Hyperfine parameters for anomalous muonium in silicon: Density functional calculations (2018)
  • Author(s): Muhamad Nasruddin Manaf, Susumu Minami, Fumiyuki Ishii and Mineo Saito
  • Organizer: 日本物理学会 2018年秋季大会
• [Presentation] Electronic structure of Group-V two dimensional materials (2018)
  • Author(s): Nuning Anugrah Putri Namari, Mineo Saito
  • Organizer: 日本物理学会 第73回年次大会
• [Presentation] First-principles calculations on positron annihilation in the Zn vacancy in ZnO (2018)
  • Author(s): Amran Mahfudh Yatmeidhy, Mineo Saito
  • Organizer: 日本物理学会 第73回年次大会
• [Presentation] 2次元物質における電子構造の群論に基づく解析 (2017)
  • Author(s): Mineo Saito, Nuning Anugrah Putri Namar, Amran Mahfudh Yatmeidhy, Muhamad Nasruddin Manaf
  • Organizer: 日本物理学会 2017年秋季大会
• [Presentation] グラフェンおよびシリセンにおけるディラックコーンの出現：群論に基づく解析 (2017)
  • Author(s): 見波将, 斎藤峯雄
  • Organizer: 日本物理学会 2017年秋季大会
• [Presentation] 非平衡グリーン関数を用いたナノ構造における熱電効果の第一原理計算 (2017)
  • Author(s): 田中悠斗, 石井史之, 斎藤峯雄
  • Organizer: 日本物理学会2017年秋季大会
• [Presentation] ホイスラー合金における熱電効果の第一 原理計算 (2017)
  • Author(s): 見波将 , 石井史之 , 水田耀ピエール , 斎藤峯雄
  • Organizer: 第 31 回分子シミュレーション討論会
• [Presentation] Electronic structures of 2-dimentional group-V materials : First-principles calculation (2017)
  • Author(s): ANUGRAH PUTRI NAMARI NUNING , 斎藤峯雄
  • Organizer: 第31回分子シミュレーション討論会
• [Presentation] ZnO中Zn原子空孔の第一原理計算 (2017)
  • Author(s): 斎藤峯雄
  • Organizer: NIMS ナノシミュレーション ワークショップ 2017
  • Invited